SCHEMBL12047925

SCHEMBL12047925

CN(C(=O)Oc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.89

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.89
SMN1; SMN2 Q16637 4/20 0.89
GAA P10253 1/20 0.63
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.50
ATM Q13315 3/20 0.50
CRHBP P24387 2/20 0.50
CRHR2 Q13324 2/20 0.50
LMNA P02545 1/20 0.50
TLR9 Q9NR96 1/20 0.50
ALOX5 P09917 1/20 0.49
TDP1 Q9NUW8 1/20 0.46
LIPE Q05469 1/20 0.46
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5685316 0.94 SMN1; SMN2 (1.00) ALDH1A1SMN1; SMN2GAARAB9ANPC1
SCHEMBL5649639 0.90 SMN1; SMN2 (0.92) ALDH1A1SMN1; SMN2GAARAB9ANPC1
SCHEMBL4980160 0.86 SMN1; SMN2 (0.75) ALDH1A1SMN1; SMN2GAARAB9ANPC1
SCHEMBL15567363 0.83 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2GAARAB9ANPC1
SCHEMBL3276088 0.82 RAB9A (0.75) ALDH1A1SMN1; SMN2RAB9ANPC1MEN1
SCHEMBL1854417 0.80 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL1016036 0.79 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2RAB9ANPC1MEN1
SCHEMBL1568901 0.79 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2GAARAB9ANPC1
SCHEMBL30063436 0.79 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2GAARAB9ANPC1
SCHEMBL2233608 0.79 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2GAAMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071810-B2 3-(3-Amino-2,6-diisopropyl-phenyl)-1-(4-isopropyl-phenyl)-1-(4-methoxy-benzyl)-urea; autoimmune disorders; inflammation JERINI AG (DE) 2011-12-06 US disclosed
US-8071810-B2 3-(3-Amino-2,6-diisopropyl-phenyl)-1-(4-isopropyl-phenyl)-1-(4-methoxy-benzyl)-urea; autoimmune disorders; inflammation JERINI AG (DE) 2011-12-06 US disclosed
US-20080220003-A1 C5a Receptor Antagonists JERINI AG (DE) 2008-09-11 US disclosed
US-20080220003-A1 C5a Receptor Antagonists JERINI AG (DE) 2008-09-11 US disclosed
EP-1739078-A1 Antagonists of C5a-receptor Jerini AG (DE) 2007-01-03 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080220003-A1 C5a Receptor Antagonists C3AR1, C5AR2, C5AR1 ALDH1A1 3680/4885SMN1; SMN2 4617/4885GAA 4858/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.